Geometry & MOs

Info

ID:

176394

PubChem CID:

76043238

Reduced:

NPO7C45H80 (1)

Stoich.:

ABC7D45E80 (1)

Weight, g/mol:

1821.013542

ΔHf, kcal/mol:

-421.31

Dipole, Da:

1.77

IP(EA), eV:

 -9.04(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-6-[2-[5-acetamido-6-[2-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[2-[6-[2-(docosanoylamino)-3-hydroxyoctadecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCCN)OC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations